N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

C23H25F3N4O2S — CID 146453308

IUPACN-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(Oc4cccc(C(C)C)n4)CC3)nc12
InChIInChI=1S/C23H25F3N4O2S/c1-13(2)17-5-4-6-19(28-17)32-14-7-9-30(10-8-14)18-11-16(23(24,25)26)21-20(29-18)15(12-33-21)22(31)27-3/h4-6,11-14H,7-10H2,1-3H3,(H,27,31)
InChIKeyCPOBHNIIYPZMKN-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.24
Rot. Bonds5

About N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 146453308) has the molecular formula C23H25F3N4O2S and a molecular weight of 478.54 g/mol. Its IUPAC name is N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
PubChem CID146453308
Molecular FormulaC23H25F3N4O2S
Molecular Weight478.54 g/mol
Exact Mass478.17
IUPAC NameN-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(Oc4cccc(C(C)C)n4)CC3)nc12
InChIInChI=1S/C23H25F3N4O2S/c1-13(2)17-5-4-6-19(28-17)32-14-7-9-30(10-8-14)18-11-16(23(24,25)26)21-20(29-18)15(12-33-21)22(31)27-3/h4-6,11-14H,7-10H2,1-3H3,(H,27,31)
InChIKeyCPOBHNIIYPZMKN-UHFFFAOYSA-N
XLogP5.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 5-[4-(anilinocarbonyl)piperazino]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
CID 2809149
3-Amino-6-[4-[[2-hydroxy-2-(6-methoxypyridin-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 21064705
4-[2-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide
CID 51035626
4-[2-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,2-c]quinoline-6-carboxamide
CID 51036452
4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,2-c]quinoline-6-carboxamide
CID 51036648
4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[2,3-c]quinoline-6-carboxamide
CID 51037704
4-[2-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[2,3-c]quinoline-6-carboxamide
CID 51037914
4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide
CID 51038807
Methyl 5-[4-[2-[(2-ethoxyphenyl)carbamoyloxy]ethyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
CID 58904607
2-(3-fluoro-4-(2-(1-methylpiperidin-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylamino)-N-(4-fluorophenyl)nicotinamide
CID 58949460
4-[6-Ethoxy-4-piperazin-1-yl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]benzamide
CID 87227632
N-[6-ethoxy-4-piperazin-1-yl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]benzamide
CID 87227945

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (CID 146453308) is N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(Oc4cccc(C(C)C)n4)CC3)nc12.
What is the InChIKey of N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is CPOBHNIIYPZMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2S/c1-13(2)17-5-4-6-19(28-17)32-14-7-9-30(10-8-14)18-11-16(23(24,25)26)21-20(29-18)15(12-33-21)22(31)27-3/h4-6,11-14H,7-10H2,1-3H3,(H,27,31).
What are the key properties of N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[(6-propan-2-yl-2-pyridinyl)oxy]piperidin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 146453308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).